ethyl 2-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate
ethyl 2-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D285-0038 |
| Compound Name: | ethyl 2-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C22 H20 N4 O4 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3545 |
| logD: | -0.1985 |
| logSw: | -3.5893 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.136 |
| InChI Key: | SLCSVMHOBOHIDV-UHFFFAOYSA-N |